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Title: Materials Data on PrN(ClO)4 by Materials Project

Abstract

PrN(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two PrN(OCl)4 ribbons oriented in the (1, 0, 0) direction. Pr is bonded in a 6-coordinate geometry to four O and two equivalent Cl atoms. There are two shorter (2.36 Å) and two longer (2.75 Å) Pr–O bond lengths. Both Pr–Cl bond lengths are 2.68 Å. N is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both N–O bond lengths are 1.22 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.61 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one N atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Pr atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom.

Publication Date:
Other Number(s):
mp-1209698
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; PrN(ClO)4; Cl-N-O-Pr
OSTI Identifier:
1753121
DOI:
https://doi.org/10.17188/1753121

Citation Formats

The Materials Project. Materials Data on PrN(ClO)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753121.
The Materials Project. Materials Data on PrN(ClO)4 by Materials Project. United States. doi:https://doi.org/10.17188/1753121
The Materials Project. 2020. "Materials Data on PrN(ClO)4 by Materials Project". United States. doi:https://doi.org/10.17188/1753121. https://www.osti.gov/servlets/purl/1753121. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1753121,
title = {Materials Data on PrN(ClO)4 by Materials Project},
author = {The Materials Project},
abstractNote = {PrN(OCl)4 crystallizes in the orthorhombic P2_12_12 space group. The structure is one-dimensional and consists of two PrN(OCl)4 ribbons oriented in the (1, 0, 0) direction. Pr is bonded in a 6-coordinate geometry to four O and two equivalent Cl atoms. There are two shorter (2.36 Å) and two longer (2.75 Å) Pr–O bond lengths. Both Pr–Cl bond lengths are 2.68 Å. N is bonded in a bent 120 degrees geometry to two equivalent O atoms. Both N–O bond lengths are 1.22 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pr and one Cl atom. The O–Cl bond length is 1.61 Å. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Pr and one N atom. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Pr atom. In the second Cl site, Cl is bonded in a single-bond geometry to one O atom.},
doi = {10.17188/1753121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}